7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C23H28FN7OS — CID 172539835

IUPAC7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCNC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3)CC1CF
InChIInChI=1S/C23H28FN7OS/c1-12-9-27-20-19(25)21(33-23(20)28-12)22(32)29-15-4-5-16-13(7-15)3-6-18(30-16)31-10-14(8-24)17(11-31)26-2/h3,6,9,14-15,17,26H,4-5,7-8,10-11,25H2,1-2H3,(H,29,32)
InChIKeyFAZMJOJGCMLJKR-UHFFFAOYSA-N
MW469.59 g/mol
LogP2.26
Rot. Bonds5

About 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172539835) has the molecular formula C23H28FN7OS and a molecular weight of 469.59 g/mol. Its IUPAC name is 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID172539835
Molecular FormulaC23H28FN7OS
Molecular Weight469.59 g/mol
Exact Mass469.21
IUPAC Name7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCNC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3)CC1CF
InChIInChI=1S/C23H28FN7OS/c1-12-9-27-20-19(25)21(33-23(20)28-12)22(32)29-15-4-5-16-13(7-15)3-6-18(30-16)31-10-14(8-24)17(11-31)26-2/h3,6,9,14-15,17,26H,4-5,7-8,10-11,25H2,1-2H3,(H,29,32)
InChIKeyFAZMJOJGCMLJKR-UHFFFAOYSA-N
XLogP2.26
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172539835) is 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is CNC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3)CC1CF.
What is the InChIKey of 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is FAZMJOJGCMLJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7OS/c1-12-9-27-20-19(25)21(33-23(20)28-12)22(32)29-15-4-5-16-13(7-15)3-6-18(30-16)31-10-14(8-24)17(11-31)26-2/h3,6,9,14-15,17,26H,4-5,7-8,10-11,25H2,1-2H3,(H,29,32).
What are the key properties of 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172539835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).